Chemical Components in the PDB

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EX8 : Summary

Code

EX8

One-letter code

X

Molecule name

(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Formula

C5 H8 F N O3

Formal charge

0

Molecular weight

149.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1CN[CH]([CH]1F)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C1C(C(C(N1)C(=O)O)F)O
Canonical SMILES CACTVS 3.385 O[C@H]1CN[C@@H]([C@H]1F)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@@H]([C@@H]([C@H](N1)C(=O)O)F)O

IUPAC InChI

InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1

IUPAC InChI key

YKUGAOZPOJCILK-HZLVTQRSSA-N
EX8

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-03

Last modified at

2024-06-28

Status

Released

Obsoleted

Not Assigned